SCHEMBL8709359

SCHEMBL8709359

COCOCc1ccc(OCOC)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15922148 0.83 CYP1A2 (0.47) MAPTALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL4262497 0.83 ALDH1A1 (0.42) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL27511679 0.81 MAPT (0.39) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL4255534 0.81 TTR (0.41) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL15335397 0.79 PTPN1 (0.31) MAPTALDH1A1TDP1KDM4E
SCHEMBL30983713 0.79 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29210582 0.79 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15386720 0.78 MAPT (0.37) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL12772142 0.78 MAPT (0.46) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL2370519 0.77 MAPK1 (0.54) MAPTALDH1A1TDP1L3MBTL1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed